%chk=000089862.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000089862

0 1
 O   -3.228900       2.069100     -0.4514000    
 O    1.816000       2.049800      -1.113900    
 O   -2.168500       1.774300       1.567800    
 O    2.959600     -0.9267000      -1.403000    
 O    4.960500     -0.1151000     -0.7125000    
 N   0.2354000       1.191800      0.3591000    
 N    4.112800     -0.4680000       1.899700    
 C  -0.9258000       1.408200     -0.4720000    
 C   -1.179800      0.2104000      -1.399300    
 C   -1.518300      -1.079500     -0.6867000    
 C    2.565600       1.219300       1.010800    
 C    1.516600       1.535000     -3.8800001E-02
 C    3.102800     -0.2073000      0.8705000    
 C   -2.161000       1.772500      0.3410000    
 C  -0.4962000      -1.940000     -0.3228000    
 C   -2.843200      -1.373700     -0.4121000    
 C  -0.8083000      -3.129900      0.3348000    
 C   -3.155200      -2.563700      0.2457000    
 C    3.791700     -0.3895000     -0.4721000    
 C   -2.137600      -3.441700      0.6191000    
 C   -4.438400       2.404600      0.2361000    
 H  -0.7115000       2.285200      -1.097000    
 H   -1.989900      0.4465000      -2.102400    
 H  -0.2971000      4.2199999E-02  -2.031800    
 H   9.8300003E-02  0.7520000       1.264800    
 H    3.371500       1.956400      0.8981000    
 H    2.135400       1.372500       2.008500    
 H    2.301300     -0.9464000      0.9710000    
 H   0.5396000      -1.712000     -0.5463000    
 H   -3.645700     -0.7033000     -0.7043000    
 H  -1.6000001E-02  -3.814100      0.6239000    
 H   -4.190500      -2.807500      0.4655000    
 H    3.697600     -0.3455000       2.822600    
 H    4.407600      -1.442700       1.849100    
 H   -2.380600      -4.368500       1.130500    
 H   -4.769000       1.563700      0.8532000    
 H   -5.207600       2.613800     -0.5121000    
 H   -4.290600       3.299600      0.8479000    
 H    3.408700      -1.051900      -2.266000    


%chk=000089862-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000089862

0 1
O -3.256296 2.125155 -0.415539
O 1.776062 1.698546 -1.256327
O -2.184355 1.724579 1.611755
O 2.859685 -1.267031 -1.203750
O 4.922980 -0.328782 -0.689846
N 0.195259 1.267751 0.388255
N 4.170032 -0.555933 2.018537
C -0.941758 1.476768 -0.511063
C -1.196485 0.274115 -1.492097
C -1.533323 -1.035520 -0.799207
C 2.576749 1.158484 1.004341
C 1.497817 1.409690 -0.047920
C 3.136545 -0.324280 1.010876
C -2.160574 1.780344 0.359168
C -0.507244 -1.948919 -0.440903
C -2.878617 -1.367850 -0.489224
C -0.819975 -3.157889 0.222300
C -3.192824 -2.575629 0.173171
C 3.757168 -0.623655 -0.353162
C -2.162354 -3.474155 0.535270
C -4.505628 2.424265 0.331110
H -0.728478 2.356462 -1.149816
H -2.013294 0.583146 -2.168491
H -0.273546 0.180243 -2.090539
H -0.027521 1.084397 1.371268
H 3.421869 1.838283 0.799209
H 2.199337 1.361922 2.024660
H 2.290186 -1.014905 1.170567
H 0.533376 -1.721224 -0.700842
H -3.683135 -0.681733 -0.783685
H -0.017235 -3.856431 0.485530
H -4.237202 -2.819726 0.399518
H 3.897019 -0.378152 2.986321
H 5.096325 -0.204027 1.760856
H -2.403771 -4.413486 1.045518
H -4.805346 1.549879 0.932534
H -5.247519 2.650414 -0.446670
H -4.349521 3.288658 0.997382
H 3.256892 -1.343871 -2.113864


